⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29536394 | 1.00 | — | — | |
| SCHEMBL29537199 | 1.00 | — | — | |
| SCHEMBL1991133 | 1.00 | — | — | |
| SCHEMBL1991253 | 1.00 | — | — | |
| SCHEMBL1991130 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1996179 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL1990833 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL1990835 | 0.99 | — | — | |
| SCHEMBL1989515 | 0.94 | — | — | |
| SCHEMBL29537056 | 0.94 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220280527-A1 | TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT | PURDUE PHARMA L.P. (US) | 2022-09-08 | — | — | US | disclosed |